SCHEMBL977339

SCHEMBL977339

CCOC(=O)c1ccc(C2(c3ccc(OCc4ccccc4)cc3)CC(=O)C2(Cl)Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
ADAM17 P78536 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
PPARG P37231 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
ALDH1A1 P00352 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12948100 0.86 KCNH2 (0.47) LMNAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL975808 0.84 MAOB (0.50) MAOBADAM17LMNAL3MBTL1CHRNB2
SCHEMBL340618 0.82 MAOB (0.67) MAOBLMNAL3MBTL1CHRNB2CHRNA5
SCHEMBL977023 0.82 MAOB (0.53) MAOBADAM17LMNAL3MBTL1CHRNB2
SCHEMBL975630 0.81 LMNA (0.51) MAOBADAM17LMNAL3MBTL1CHRNB2
SCHEMBL978523 0.79 MAOB (0.58) MAOBLMNAL3MBTL1CHRNB2CHRNA5
SCHEMBL977234 0.79 SRD5A2 (0.68) MAOBLMNAL3MBTL1CHRNB2CHRNA5
SCHEMBL975370 0.78 LMNA (0.51) MAOBADAM17LMNAL3MBTL1CHRNB2
SCHEMBL11602002 0.77 SMN1; SMN2 (0.61) MAOBLMNAL3MBTL1NR4A1NR4A2
SCHEMBL6337447 0.74 MEN1 (0.60) MAOBLMNAL3MBTL1PPARGNR4A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S MAOB 1295/4885ADAM17 671/4885LMNA 3052/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.